2011 Annual Meeting

Session: Reaction Path Analysis II

Presentations

12:30 PM

(551a) Automatic Reaction Mechanism Generation with Group Additive Kinetics
Joshua W. Allen

12:50 PM

(551b) Automation of Composition Modeling for Complex Petroleum Hydrocarbons by Homologous Series
Zhen Hou, Craig Bennett, Steven P. Pyl

01:10 PM

(551c) Rule-Based Network Analysis of Complex Reaction Systems In Biomass Conversion
Aditya Bhan

01:30 PM

(551d) Progress towards Capturing Solvent Effects In Automatic Mechanism Generation
Amrit Jalan

01:50 PM

(551e) Creating Thermodynamically Consistent Microkinetic Mechanisms for Heterogeneous Chemistry Based Upon Gas-Phase Properties
Claude Franklin Goldsmith, Raimund Horn, D. Wayne Blaylock

02:10 PM

(551f) Efficient Location of Transition State Structures Via the Freezing String Method
Paul M. Zimmerman, Alexis T. Bell, Andrew Behn

02:30 PM

(551g) Reaction Mechanism Analysis Using Periodic Temperature Forcing
Ramanathan Srinivasan, Niket Kaisare